[2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[(9,10-dioxo-2-anthryl)amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[(9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[(9,10-diketo-2-anthryl)amino]-2-keto-ethyl] ester Formula: C24H14N2O5S MolecularWeight: 442.44336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)COC(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)COC(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C24H14N2O5S/c27-21(11-31-24(30)13-5-8-19-20(9-13)32-12-25-19)26-14-6-7-17-18(10-14)23(29)16-4-2-1-3-15(16)22(17)28/h1-10,12H,11H2,(H,26,27)